3-prop-1-en-2-yl-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid

C10H11NO2S — CID 67804043

IUPAC3-prop-1-en-2-yl-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid
SMILESC=C(C)c1scc2c1CN(C(=O)O)C2
InChIInChI=1S/C10H11NO2S/c1-6(2)9-8-4-11(10(12)13)3-7(8)5-14-9/h5H,1,3-4H2,2H3,(H,12,13)
InChIKeyMLXSTBSHBHHJKK-UHFFFAOYSA-N
MW209.27 g/mol
LogP2.77
Rot. Bonds1

About 3-prop-1-en-2-yl-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid

3-prop-1-en-2-yl-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid (PubChem CID 67804043) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is 3-prop-1-en-2-yl-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid.

Molecular Properties

Compound Name3-prop-1-en-2-yl-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid
PubChem CID67804043
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC Name3-prop-1-en-2-yl-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid
SMILESC=C(C)c1scc2c1CN(C(=O)O)C2
InChIInChI=1S/C10H11NO2S/c1-6(2)9-8-4-11(10(12)13)3-7(8)5-14-9/h5H,1,3-4H2,2H3,(H,12,13)
InChIKeyMLXSTBSHBHHJKK-UHFFFAOYSA-N
XLogP2.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-prop-1-en-2-yl-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-prop-1-en-2-yl-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid?
The IUPAC name of 3-prop-1-en-2-yl-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid (CID 67804043) is 3-prop-1-en-2-yl-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid.
What is the SMILES notation for 3-prop-1-en-2-yl-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid?
The canonical SMILES for 3-prop-1-en-2-yl-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid is C=C(C)c1scc2c1CN(C(=O)O)C2.
What is the InChIKey of 3-prop-1-en-2-yl-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid?
The InChIKey is MLXSTBSHBHHJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S/c1-6(2)9-8-4-11(10(12)13)3-7(8)5-14-9/h5H,1,3-4H2,2H3,(H,12,13).
What are the key properties of 3-prop-1-en-2-yl-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid?
3-prop-1-en-2-yl-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid has a molecular weight of 209.27 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-1-en-2-yl-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid is sourced from PubChem (CID 67804043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).